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6 search results found
Dftatom
⭐
18
Density Functional Theory in real space, for atoms, LDA and LSDA
Kkr
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15
Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation
Tightbinding
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11
Semi-empirical tight-binding computation of the electronic structure of semiconductors
Vqmcmolecule
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11
Variational Quantum Monte Carlo for a molecule, using Fokker-Planck/Langevin approach
Apw
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8
Augmented Plane Waves (both APW and LAPW), band structure computation
Scattering
⭐
7
Scattering on a Lennard-Jones potential, cross-section computation.
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1-6 of 6 search results
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